Cas no 61439-68-7 (Benzoic acid, 4-[(3-phenyl-2-propenyl)amino]-)
![Benzoic acid, 4-[(3-phenyl-2-propenyl)amino]- structure](https://ossimg.kuujia.com/scimg/61500/61439-68-7x500.png)
61439-68-7 structure
Product Name:Benzoic acid, 4-[(3-phenyl-2-propenyl)amino]-
CAS No:61439-68-7
MF:C16H15NO2
MW:253.295804262161
CID:479408
PubChem ID:54537106
Update Time:2025-04-19
Benzoic acid, 4-[(3-phenyl-2-propenyl)amino]- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 4-[(3-phenyl-2-propenyl)amino]-
- 4-(3-phenylprop-2-enylamino)benzoic acid
- 61439-68-7
- p-(Cinnamylamino)benzoic Acid
- DTXSID90712049
- 4-[(3-Phenylprop-2-en-1-yl)amino]benzoic acid
- ZAOAYQPSQDFOCJ-UHFFFAOYSA-N
-
- Inchi： 1S/C16H15NO2/c18-16(19)14-8-10-15(11-9-14)17-12-4-7-13-5-2-1-3-6-13/h1-11,17H,12H2,(H,18,19)
- InChI Key： ZAOAYQPSQDFOCJ-UHFFFAOYSA-N
- SMILES： OC(C1C=CC(=CC=1)NCC=CC1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 253.11035
- Monoisotopic Mass: 253.11
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 5
- Complexity: 300
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- Topological Polar Surface Area: 49.3A^2
- XLogP3: 3.6
Experimental Properties
- PSA: 49.33
Benzoic acid, 4-[(3-phenyl-2-propenyl)amino]- Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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